3-(1,2,4-triazol-1-yl)cyclopentan-1-one

C7H9N3O — CID 24949206

IUPAC3-(1,2,4-triazol-1-yl)cyclopentan-1-one
SMILESO=C1CCC(n2cncn2)C1
InChIInChI=1S/C7H9N3O/c11-7-2-1-6(3-7)10-5-8-4-9-10/h4-6H,1-3H2
InChIKeyOSLVTSXIUUGHFQ-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.57
Rot. Bonds1

About 3-(1,2,4-triazol-1-yl)cyclopentan-1-one

3-(1,2,4-triazol-1-yl)cyclopentan-1-one (PubChem CID 24949206) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)cyclopentan-1-one
PubChem CID24949206
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-(1,2,4-triazol-1-yl)cyclopentan-1-one
SMILESO=C1CCC(n2cncn2)C1
InChIInChI=1S/C7H9N3O/c11-7-2-1-6(3-7)10-5-8-4-9-10/h4-6H,1-3H2
InChIKeyOSLVTSXIUUGHFQ-UHFFFAOYSA-N
XLogP0.57
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-1,2,4-triazol-1-yl)butan-2-one
CID 3825696
3-(1H-1,2,4-triazol-1-yl)cyclobutan-1-one hydrochloride
CID 145913227
3-(1H-1,2,4-triazol-1-yl)cyclohexan-1-one
CID 79618100
3-(1,2,4-Triazol-1-yl)cycloheptan-1-one
CID 101434259
(3R)-3-(1,2,4-triazol-1-yl)cyclohexan-1-one
CID 130031924
3-(1,2,4-Triazol-1-yl)cyclobutan-1-one
CID 145913228
1-(1H-1,2,4-Triazol-1-yl)pentan-3-one
CID 12591959
5-(1h-1,2,4-Triazol-1-yl)pentan-2-one
CID 12591960
1-(1,2,4-Triazol-1-yl)hexan-2-one
CID 14223066
2-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanone
CID 14348174
2-(1,2,4-Triazol-1-yl)cyclohexanone
CID 14811609
4-[1,2,4]Triazol-1-yl-cyclohexanone
CID 57424093

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)cyclopentan-1-one?
The IUPAC name of 3-(1,2,4-triazol-1-yl)cyclopentan-1-one (CID 24949206) is 3-(1,2,4-triazol-1-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)cyclopentan-1-one?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)cyclopentan-1-one is O=C1CCC(n2cncn2)C1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)cyclopentan-1-one?
The InChIKey is OSLVTSXIUUGHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-2-1-6(3-7)10-5-8-4-9-10/h4-6H,1-3H2.
What are the key properties of 3-(1,2,4-triazol-1-yl)cyclopentan-1-one?
3-(1,2,4-triazol-1-yl)cyclopentan-1-one has a molecular weight of 151.17 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)cyclopentan-1-one is sourced from PubChem (CID 24949206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).